2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid

C23H18N2O4S — CID 174636232

IUPAC2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc4ccccc4c3C(=O)O)sc2C)cc1
InChIInChI=1S/C23H18N2O4S/c1-13-20(15-7-10-16(29-2)11-8-15)24-23(30-13)25-21(26)18-12-9-14-5-3-4-6-17(14)19(18)22(27)28/h3-12H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyZZJCHOUXNUKBLV-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.23
Rot. Bonds5

About 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid

2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid (PubChem CID 174636232) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
PubChem CID174636232
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC Name2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
SMILESCOc1ccc(-c2nc(NC(=O)c3ccc4ccccc4c3C(=O)O)sc2C)cc1
InChIInChI=1S/C23H18N2O4S/c1-13-20(15-7-10-16(29-2)11-8-15)24-23(30-13)25-21(26)18-12-9-14-5-3-4-6-17(14)19(18)22(27)28/h3-12H,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyZZJCHOUXNUKBLV-UHFFFAOYSA-N
XLogP5.23
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbenzamide
CID 3260995
2-iodo-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 3268654
2-fluoro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2671533
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 32939841
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 4028071
4-bromo-2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 52670895
2-[4-[5-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 28864610
2-(2,4-dimethoxyphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2164416
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methylthiophene-2-carboxamide
CID 4812490
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4557450
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid (CID 174636232) is 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid is COc1ccc(-c2nc(NC(=O)c3ccc4ccccc4c3C(=O)O)sc2C)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid?
The InChIKey is ZZJCHOUXNUKBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-13-20(15-7-10-16(29-2)11-8-15)24-23(30-13)25-21(26)18-12-9-14-5-3-4-6-17(14)19(18)22(27)28/h3-12H,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid?
2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid has a molecular weight of 418.47 g/mol, XLogP of 5.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 174636232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).